2-Bromo-4-methyl-1,3-benzothiazole

Basic Information

View in Editor

CAS Number

73443-76-2

Molecular Formula

C8H6BrNS

Molecular Weight

228.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

310.8°C at 760 mmHg

Density

1.644

Flash Point

141.7°C

Refractive Index

1.691

SMILES

View in Editor

CC1=C2C(=CC=C1)SC(=N2)Br

InChI

InChI=1S/C8H6BrNS/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3

InChIKey

YDBIDZHRJCRSKR-UHFFFAOYSA-N

LogP

3.3672200000000014

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

153

Synonyms & References

English

2-Bromo-4-methylbenzothiazole
SY068805
J-508312
73443-76-2
2-BROMO-4-METHYLBENZO[D]THIAZOLE
MFCD03840700
AB16505
CS-0103390
AM804297
A837832
AC-12079
2-bromo-4-methyl-1,3-benzothiazole
AKOS015960706
DTXSID70608810
AS-61024
SCHEMBL3918916
Benzothiazole,2-bromo-4-methyl-
2-BROMO-4-METHYLBENZOTHIAZOLE
Benzothiazole,2-bromo-4-methyl

MDL Number

MFCD03840700

FAQ

What are the physical and chemical properties of 2-Bromo-4-methyl-1,3-benzothiazole (CAS: 73443-76-2)?

2-Bromo-4-methyl-1,3-benzothiazole is a crystalline solid with a molecular weight of approximately 215.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo substitution reactions, particularly with nucleophiles at the bromine or sulfur atom.

How is 2-Bromo-4-methyl-1,3-benzothiazole (CAS: 73443-76-2) typically synthesized?

2-Bromo-4-methyl-1,3-benzothiazole is typically synthesized via the reaction of 4-methyl-1,3-benzothiazole with bromine in the presence of a Lewis acid catalyst such as iron(III) chloride. The synthesis involves bromination of the sulfur atom, leading to high selectivity and good yields.

What industries use 2-Bromo-4-methyl-1,3-benzothiazole (CAS: 73443-76-2)?

2-Bromo-4-methyl-1,3-benzothiazole finds applications in the pharmaceutical and polymer industries. It is used as a precursor in the synthesis of various drugs and as an additive in polymer formulations to enhance thermal stability and flame retardancy.

What precautions should be taken when handling 2-Bromo-4-methyl-1,3-benzothiazole (CAS: 73443-76-2)?

When handling 2-Bromo-4-methyl-1,3-benzothiazole, it is important to use proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled carefully using appropriate materials, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.